| Collection |
D4 : TTD |
| Chemical Name |
SCH-210971 ( From PubChem : S C H - 2 1 0 9 7 1 ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Not | Not | Not | Not | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 447.564 g/mol |
4 |
7 |
3.7113 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 5 H 3 7 N O 6 / c 1 - 6 - 1 3 ( 3 ) 1 6 - 8 - 7 - 1 5 - 1 0 - 1 2 ( 2 ) 9 - 1 4 ( 4 ) 1 8 ( 1 5 ) 1 9 ( 1 6 ) 2 2 ( 2 8 ) 2 0 - 2 1 ( 2 7 ) 1 7 ( 2 6 - 2 3 ( 2 0 ) 2 9 ) 1 1 - 2 5 ( 5 , 3 2 ) 2 4 ( 3 0 ) 3 1 / h 6 , 1 2 , 1 4 - 1 9 , 2 7 , 3 2 H , 7 - 1 1 H 2 , 1 - 5 H 3 , ( H , 2 6 , 2 9 ) ( H , 3 0 , 3 1 ) / b 1 3 - 6 + / t 1 2 - , 1 4 + , 1 5 - , 1 6 + , 1 7 - , 1 8 - , 1 9 - , 2 5 + / m 1 / s 1 |
| InChIKey |
D O B V W O X J Y W V T J J - D P A X G F J L S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CCR5 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
